Compound Detail
CHEMBL3941082
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Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2CCO3)no1
Basic Information
| ChEMBL ID | CHEMBL3941082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWHACELMMCHPDB-QHCPKHFHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.47
ALogP
7
HBA
2
HBD
116.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31531194 | 10.1021/acsmedchemlett.8b00658 | ADMET | 3 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Serine/threonine-protein kinase D1 | 2 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | No relevant target | 2 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Unchecked | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | RAC-alpha serine/threonine-protein kinase | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Tyrosine-protein kinase JAK1 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Misshapen-like kinase 1 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Serine/threonine-protein kinase PAK 4 | 1 |
Data from ChEMBL 36 via Core Engine